9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane

C55H46 — CID 144703476

IUPAC9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane
SMILESCCCCC.Cc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1-c1c(C)c2ccccc2c2ccccc12
InChIInChI=1S/C50H34.C5H12/c1-31-23-24-35(29-46(31)48-32(2)37-14-5-6-16-39(37)40-17-7-8-18-41(40)48)49-42-19-9-11-21-44(42)50(45-22-12-10-20-43(45)49)36-28-27-34-26-25-33-13-3-4-15-38(33)47(34)30-36;1-3-5-4-2/h3-30H,1-2H3;3-5H2,1-2H3
InChIKeyHIVDCQNQANLLEO-UHFFFAOYSA-N
MW706.97 g/mol
LogP16.42
Rot. Bonds5

About 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane

9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane (PubChem CID 144703476) has the molecular formula C55H46 and a molecular weight of 706.97 g/mol. Its IUPAC name is 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane.

Molecular Properties

Compound Name9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane
PubChem CID144703476
Molecular FormulaC55H46
Molecular Weight706.97 g/mol
Exact Mass706.36
IUPAC Name9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane
SMILESCCCCC.Cc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1-c1c(C)c2ccccc2c2ccccc12
InChIInChI=1S/C50H34.C5H12/c1-31-23-24-35(29-46(31)48-32(2)37-14-5-6-16-39(37)40-17-7-8-18-41(40)48)49-42-19-9-11-21-44(42)50(45-22-12-10-20-43(45)49)36-28-27-34-26-25-33-13-3-4-15-38(33)47(34)30-36;1-3-5-4-2/h3-30H,1-2H3;3-5H2,1-2H3
InChIKeyHIVDCQNQANLLEO-UHFFFAOYSA-N
XLogP16.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.97
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-methyl-10-phenanthren-3-ylanthracene
CID 123866149
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 143848474
21,21-dimethyl-17-(10-phenanthren-3-ylanthracen-9-yl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724763
9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123956480
ethane;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 143847474
9-[4-methyl-3-(3-methylnaphthalen-2-yl)phenyl]-10-(3-naphthalen-1-ylphenyl)anthracene
CID 144703383
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
9-[3-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]phenyl]-10-(8-methylnaphthalen-1-yl)anthracene
CID 144703416
21,21-dimethyl-17-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724532

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane?
The IUPAC name of 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane (CID 144703476) is 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane.
What is the SMILES notation for 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane?
The canonical SMILES for 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane is CCCCC.Cc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1-c1c(C)c2ccccc2c2ccccc12.
What is the InChIKey of 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane?
The InChIKey is HIVDCQNQANLLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34.C5H12/c1-31-23-24-35(29-46(31)48-32(2)37-14-5-6-16-39(37)40-17-7-8-18-41(40)48)49-42-19-9-11-21-44(42)50(45-22-12-10-20-43(45)49)36-28-27-34-26-25-33-13-3-4-15-38(33)47(34)30-36;1-3-5-4-2/h3-30H,1-2H3;3-5H2,1-2H3.
What are the key properties of 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane?
9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane has a molecular weight of 706.97 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane is sourced from PubChem (CID 144703476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).